Information card for entry 7119827

Structure parameters

• Formula: C180 H54 N18 O108 Zn18
• Calculated formula: C180 H54 N18 O108 Zn18
• Title of publication: Design and synthesis of squaramide-based MOFs as efficient MOF-supported hydrogen-bonding organocatalysts
• Authors of publication: Xiaoping Zhang; Zhenjie Zhang; Jake Boissonnault; Seth M. Cohen
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8585
• a: 18.816 ± 0.002 Å
• b: 18.816 ± 0.002 Å
• c: 38.416 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11779 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No